2-(3,4-dimethoxyphenyl)-6-(phenanthren-9-ylmethylamino)-2-propan-2-yl-hex-4-ynenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-6-(phenanthren-9-ylmethylamino)-2-propan-2-yl-hex-4-ynenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-6-(9-phenanthrylmethylamino)hex-4-ynenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-6-(9-phenanthrenylmethylamino)-2-propan-2-yl-4-hexynenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-6-(phenanthren-9-ylmethylamino)-2-propan-2-ylhex-4-ynenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-6-(9-phenanthrylmethylamino)hex-4-ynenitrile Formula: C32H32N2O2 MolecularWeight: 476.60868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC#CCNCC1=CC2=CC=CC=C2C3=CC=CC=C31)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C(CC#CCNCC1=CC2=CC=CC=C2C3=CC=CC=C31)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C32H32N2O2/c1-23(2)32(22-33,26-15-16-30(35-3)31(20-26)36-4)17-9-10-18-34-21-25-19-24-11-5-6-12-27(24)29-14-8-7-13-28(25)29/h5-8,11-16,19-20,23,34H,17-18,21H2,1-4H3